Compound Detail
CHEMBL275260
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Basic Information
| ChEMBL ID | CHEMBL275260 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCSHMCFRCYZTRQ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
228.3
MW (Da)
3.50
ALogP
1
HBA
2
HBD
24.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.64
IC50 1 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Taste receptor type 2 member 38 CHEMBL4523248 | EC50 | 5.64 | 5.64 | 2300.0 | 1 |
| B16 CHEMBL381 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Taste receptor type 2 member 38 | EC50 | = | 2300.0 | nM | 5.64 | Activity at human TAS2R38 expressed in HEK-293T-Galpha16-gustducin44 cells asses... | - |
| B16 | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of alpha-MSH -stimulated melanogenesis in mouse B16 cells assessed as... | 21978680 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6251219 | 10.1021/jm00183a016 | NON-PROTEIN TARGET | 3 |
| 21978680 | 10.1016/j.bmcl.2011.09.024 | Tyrosinase | 2 |
| 21978680 | 10.1016/j.bmcl.2011.09.024 | B16 | 2 |
| 25147607 | 10.1021/ml500211c | Plasmodium falciparum | 2 |
| 25147607 | 10.1021/ml500211c | Unchecked | 2 |
| 34890996 | 10.1016/j.bmc.2021.116506 | RAW264.7 | 2 |
| 25147607 | 10.1021/ml500211c | Vero | 1 |
| 34890996 | 10.1016/j.bmc.2021.116506 | Mycobacterium tuberculosis | 1 |
| 34890996 | 10.1016/j.bmc.2021.116506 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine